General Information of the Compound
| Compound ID |
CP0430852
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| Compound Name |
8-[2-[[1-(4-tert-butylphenyl)-2-methylpropan-2-yl]amino]-1-hydroxyethyl]-6-hydroxy-4H-1,4-benzoxazin-3-one
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| Structure |
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| Formula |
C24H32N2O4
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| Molecular Weight |
412.53
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| Canonical SMILES |
CC(C)(Cc1ccc(cc1)C(C)(C)C)NCC(O)c1cc(O)cc2NC(=O)COc12
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| InChI |
InChI=1S/C24H32N2O4/c1-23(2,3)16-8-6-15(7-9-16)12-24(4,5)25-13-20(28)18-10-17(27)11-19-22(18)30-14-21(29)26-19/h6-11,20,25,27-28H,12-14H2,1-5H3,(H,26,29)
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| InChIKey |
IAFVIBPEINGNAY-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01179, Beta-1 adrenergic receptor
Protein ID: PT01494, Beta-2 adrenergic receptor